SCHEMBL25856727

SCHEMBL25856727

CCC1(CC)CC(=O)c2cc(C3=CC(c4cccc(OC)c4)=NC3)ccc2O1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NCOA1 Q15788 1/20 0.40
▸ NCOA3 Q9Y6Q9 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.38
▸ KLK7 P49862 1/20 0.38
▸ GRM5 P41594 13/20 0.38
▸ GRM1 Q13255 8/20 0.38
▸ PPIB P23284 1/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ CNR2 P34972 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25856770 0.88 CNR1 (0.40) KDM4ECNR1CNR2
SCHEMBL25856722 0.84 KDM4E (0.39) KDM4ECNR1CNR2
SCHEMBL25856939 0.82 CNR1 (0.40) KDM4ECNR1CNR2
SCHEMBL25856817 0.80 CNR1 (0.32) CNR1CNR2
SCHEMBL23524021 0.79 NPC1 (0.57) GRM5
SCHEMBL30355598 0.79 NPC1 (0.57) GRM5
SCHEMBL23558238 0.79 ALDH1A1 (0.45) KDM4E
SCHEMBL25863238 0.72 CXCR1 (0.40) CNR1CNR2
SCHEMBL23524290 0.71 MAPT (0.54) KDM4E
SCHEMBL30355741 0.71 MAPT (0.54) KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2023-07-27 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 NCOA1 682/4885NCOA3 1312/4885KDM4E 2644/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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